1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene

C17H19I2- — CID 176659837

IUPAC1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene
SMILESCCCC(C)c1ccc([I-]c2ccc(I)cc2)cc1
InChIInChI=1S/C17H19I2/c1-3-4-13(2)14-5-9-16(10-6-14)19-17-11-7-15(18)8-12-17/h5-13H,3-4H2,1-2H3/q-1
InChIKeyQYPXXMMIIWAFGE-UHFFFAOYSA-N
MW477.15 g/mol
LogP2.32
Rot. Bonds5

About 1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene

1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene (PubChem CID 176659837) has the molecular formula C17H19I2- and a molecular weight of 477.15 g/mol. Its IUPAC name is 1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene.

Molecular Properties

Compound Name1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene
PubChem CID176659837
Molecular FormulaC17H19I2-
Molecular Weight477.15 g/mol
Exact Mass476.96
IUPAC Name1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene
SMILESCCCC(C)c1ccc([I-]c2ccc(I)cc2)cc1
InChIInChI=1S/C17H19I2/c1-3-4-13(2)14-5-9-16(10-6-14)19-17-11-7-15(18)8-12-17/h5-13H,3-4H2,1-2H3/q-1
InChIKeyQYPXXMMIIWAFGE-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.15
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethyl)-4-pentan-2-ylbenzene
CID 19353579
pentan-2-ylbenzene
CID 17627
ethane;1-ethenyl-4-pentan-2-ylbenzene
CID 178004325
2-(4-iodophenyl)propan-1-ol
CID 118041609
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
ethyl 10-(4-iodophenyl)undecanoate
CID 7458
(1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol
CID 171261947
4-pentan-2-ylbenzenesulfinate
CID 144614956
4-pentan-2-ylbenzenesulfonamide
CID 134449965
3-(4-iodophenyl)butanal
CID 101197273
ethyl 4-(4-iodophenyl)-2-methylpentanoate
CID 59863319
1-hydroperoxysulfanyl-4-[(2S)-pentan-2-yl]benzene
CID 98507106

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene?
The IUPAC name of 1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene (CID 176659837) is 1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene.
What is the SMILES notation for 1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene?
The canonical SMILES for 1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene is CCCC(C)c1ccc([I-]c2ccc(I)cc2)cc1.
What is the InChIKey of 1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene?
The InChIKey is QYPXXMMIIWAFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19I2/c1-3-4-13(2)14-5-9-16(10-6-14)19-17-11-7-15(18)8-12-17/h5-13H,3-4H2,1-2H3/q-1.
What are the key properties of 1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene?
1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene has a molecular weight of 477.15 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene is sourced from PubChem (CID 176659837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).